Manuel Llanos

10PUBLICATIONS
34CO-AUTHORS
Proteins and peptidesBiomolecular modelling and designCheminformatics and quantitative structure-activity relationshipsComputational chemistryCellular nervous system
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Publications (10)

|May 05, 2026
Posttranslational modifications remodel proteome-wide ligandability.

|Dec 11, 2025
Meeko: Molecule Parametrization and Software Interoperability for Docking and Beyond.

Diogo Santos-Martins, Yiran He, Jerome Eberhardt

|Aug 13, 2025
Structure-based rational design of covalent probes.

Matthew Holcomb, Manuel Llanos, Althea Hansel-Harris

|May 12, 2025
Discovery of Trypanosoma cruzi Carbonic Anhydrase Inhibitors by a Combination of Ligand- and Structure-Based Virtual Screening.

Denis N Prada Gori, Emilia M Barrionuevo, Lucas N Alberca

|Oct 22, 2024
CosolvKit: a Versatile Tool for Cosolvent MD Preparation and Analysis.

Niccolo' Bruciaferri, Jerome Eberhardt, Manuel A Llanos

|Nov 02, 2023
A Combined Ligand- and Structure-Based Virtual Screening To Identify Novel NaV1.2 Blockers: In Vitro Patch Clamp Validation and In Vivo Anticonvulsant Activity.

Manuel A Llanos, Nicolás Enrique, Vega Esteban-López

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Frequent Collaborators

5 joint publications

Alan Talevi

5 joint publications

Stefano Forli

5 joint publications

Matthew Holcomb

4 joint publications

Luciana Gavernet